Liquid-Hextic-Solid Phase Transition of a Hard-Core Lattice Gas with Third Neighbor Exclusion

Phase behavior of the Lattice Restricted Primitive Model with nearest-neighbor exclusion

The global phase behavior of the lattice restricted primitive model with nearest neighbor exclusion has been studied by grand canonical Monte Carlo simulations. The phase diagram is dominated by a fluid (or charge-disordered solid) to charge-ordered solid transition that terminates at the maximum density, $ρ^*_{max}=\sqrt2$ and reduced temperature $T^*\approx0.29$. At that point, there is a first-order phase transition between two phases of the same density, one charge-ordered and the other charge-disordered. The liquid-vapor transition for the model is metastable, lying entirely within the fl…

Density functional theory for nearest-neighbor exclusion lattice gasses in two and three dimensions

To speak about fundamental measure theory obliges to mention dimensional crossover. This feature, inherent to the systems themselves, was incorporated in the theory almost from the beginning. Although at first it was thought to be a consistency check for the theory, it rapidly became its fundamental pillar, thus becoming the only density functional theory which possesses such a property. It is straightforward that dimensional crossover connects, for instance, the parallel hard cube system (three-dimensional) with that of squares (two-dimensional) and rods (one-dimensional). We show here that t…

Phase Transitions in Hardcore Lattice Gases on the Honeycomb Lattice

We study lattice gas systems on the honeycomb lattice where particles exclude neighboring sites up to order $k$ ($k=1\ldots5$) from being occupied by another particle. Monte Carlo simulations were used to obtain phase diagrams and characterize phase transitions as the system orders at high packing fractions. For systems with first neighbors exclusion (1NN), we confirm previous results suggesting a continuous transition in the 2D-Ising universality class. Exclusion up to second neighbors (2NN) lead the system to a two-step melting process where, first, a high density columnar phase undergoes a …

Monte Carlo simulations of 2d hard core lattice gases

Monte Carlo simulations are used to study lattice gases of particles with extended hard cores on a two dimensional square lattice. Exclusions of one and up to five nearest neighbors (NN) are considered. These can be mapped onto hard squares of varying side length, $λ$ (in lattice units), tilted by some angle with respect to the original lattice. In agreement with earlier studies, the 1NN exclusion undergoes a continuous order-disorder transition in the Ising universality class. Surprisingly, we find that the lattice gas with exclusions of up to second nearest neighbors (2NN) also undergoes a c…

适用于球体尺寸分散系统的立体角最近邻方法

Solid-Angle Nearest-Neighbor Method for Size-Disperse Systems of Spheres

针对尺寸差异大的粒子系统，本文提出SANNR方法，将粒子半径纳入立体角判据，在保留SANN几何连续性的同时匹配Laguerre镶嵌，有效提升多分散系统近邻检测与结晶对称性捕捉的准确性。

A parameter-free, solid-angle based, nearest-neighbor algorithm

We propose a parameter-free algorithm for the identification of nearest neighbors. The algorithm is very easy to use and has a number of advantages over existing algorithms to identify nearest- neighbors. This solid-angle based nearest-neighbor algorithm (SANN) attributes to each possible neighbor a solid angle and determines the cutoff radius by the requirement that the sum of the solid angles is 4π. The algorithm can be used to analyze 3D images, both from experiments as well as theory, and as the algorithm has a low computational cost, it can also be used "on the fly" in simulations. In thi…